| CAS Number | 858678-71-4 |
| Catalog Number | AG00IDSV(AGN-PC-0WAM5K) |
| Chemical Name | 3-(2-Pyridyl)propiolic Acid |
| IUPAC Name | 3-pyridin-2-ylprop-2-ynoic acid |
| InChI | InChI=1S/C8H5NO2/c10-8(11)5-4-7-3-1-2-6-9-7/h1-3,6H,(H,10,11) |
| InChI Key | PALVOZXUYYJTDL-UHFFFAOYSA-N |
| MDL Number | MFCD16619698 |
| Molecular Formula | C8H5NO2 |
| Molecular Weight | 147.1308 |
| SMILES | O=C(O)C#CC1=NC=CC=C1 |
| Synonyms | 858678-71-4,
3-(pyridin-2-yl)propiolic acid,
3-(2-Pyridyl)propiolic Acid,
3-Pyridin-2-ylprop-2-ynoic acid,
pyridin-2-ylpropynoic Acid,
3-(2-Pyridyl)propiolicAcid,
SCHEMBL2560784,
PALVOZXUYYJTDL-UHFFFAOYSA-N,
KS-00000CU2,
3-(pyridin-2-yl)prop-2-ynoic acid,
5629AJ,
MFCD16619698,
ZINC49587164,
AKOS012990193,
AS-54939,
SY022410,
AJ-111259,
CS-0038414,
MFCD16619698 (95%),
S02-0227,
C8H5NO2,
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| Complexity | 211 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 147.032g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 147.133g/mol |
| Monoisotopic Mass | 147.032g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 50.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number